General Information of the Compound
| Compound ID |
CP0456787
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| Compound Name |
6,7-dimethoxy-N-(4-pyridin-2-ylphenyl)quinazolin-4-amine
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| Structure |
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| Formula |
C21H18N4O2
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| Molecular Weight |
358.401
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(cc3)-c3ccccn3)c2cc1OC
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| InChI |
InChI=1S/C21H18N4O2/c1-26-19-11-16-18(12-20(19)27-2)23-13-24-21(16)25-15-8-6-14(7-9-15)17-5-3-4-10-22-17/h3-13H,1-2H3,(H,23,24,25)
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| InChIKey |
PGMZHLRDRCCROG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound